SCHEMBL1686239

SCHEMBL1686239

CCOC(=O)c1noc(-c2ccc(F)cc2)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.52
LMNA P02545 2/20 0.47
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
MLYCD O95822 1/20 0.46
TARBP2 Q15633 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.43
TDP2 O95551 2/20 0.43
THRB P10828 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1686235 0.89 TARBP2 (0.56) TRPV1MLYCDTARBP2NPC1RAB9A
SCHEMBL1686445 0.87 TARBP2 (0.54) TRPV1GABRA2GABRB2TARBP2NPC1
SCHEMBL768773 0.86 TARBP2 (0.50) LMNAGABRA2GABRB2TARBP2NPC1
SCHEMBL11901882 0.86 GABRA2 (0.51) LMNAGABRA2GABRB2MLYCDTARBP2
SCHEMBL766830 0.86 TRPV1 (0.55) TRPV1MLYCDTARBP2KDM4EMAPT
SCHEMBL1686249 0.85 TRPV1 (0.59) TRPV1MLYCDTARBP2KDM4EALDH1A1
SCHEMBL1686311 0.84 GABRA2 (0.49) TRPV1LMNAGABRA2GABRB2MLYCD
SCHEMBL1686392 0.81 ALOX5 (0.49) GABRA2GABRB2MLYCDTARBP2NPC1
SCHEMBL12939229 0.80 TARBP2 (0.42) GABRA2GABRB2MLYCDTARBP2KDM4E
SCHEMBL1686437 0.79 TRPV1 (0.60) TRPV1KDM4EALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211927-B2 5-phenyl-isoxazole-3-carboxamide derivatives as TRPV1 modulators MSD, Oss B.V. (NL) 2012-07-03 US disclosed
EP-2185530-B1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS ORGANON NV (NL) 2011-09-14 EP disclosed
US-20110065764-A1 5- PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. Organon and Pharmacopeia, LLC (NL) 2011-03-17 US disclosed
EP-2185530-A1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. Organon (NL) 2010-05-19 EP disclosed
WO-2009016241-A1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. ORGANON (NL) 2009-02-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110065764-A1 5- PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS TRPV1, TRPV5, TRPV3 TRPV1 1/4885LMNA 4056/4885GABRA2 256/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.